ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate

C12H19N3O2 — CID 59594466

IUPACethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCCCC2)nc1N
InChIInChI=1S/C12H19N3O2/c1-2-17-12(16)10-8-15(14-11(10)13)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyDTZJDZVCPDVYDP-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.15
Rot. Bonds3

About ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate

ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate (PubChem CID 59594466) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate
PubChem CID59594466
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(C2CCCCC2)nc1N
InChIInChI=1S/C12H19N3O2/c1-2-17-12(16)10-8-15(14-11(10)13)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyDTZJDZVCPDVYDP-UHFFFAOYSA-N
XLogP2.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate (CID 59594466) is ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate is CCOC(=O)c1cn(C2CCCCC2)nc1N.
What is the InChIKey of ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate?
The InChIKey is DTZJDZVCPDVYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-17-12(16)10-8-15(14-11(10)13)9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H2,13,14).
What are the key properties of ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate?
ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-1-cyclohexylpyrazole-4-carboxylate is sourced from PubChem (CID 59594466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).